{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.46879 0 0 ] "si-unit" "m" "si-value" [ 5.468790000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.164352 5.45396 0 ] "si-unit" "m" "si-value" [ -1.64352e-11 5.453960000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.164037 0.0480481 5.25114 ] "si-unit" "m" "si-value" [ -1.64037e-11 4.804810000000001e-12 5.251140000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.110213 -0.12035 -0.0596546 ] [ 1.31419 1.39201 1.41434 ] [ -0.168287 2.6382 2.797 ] [ 1.3034 4.08885 4.02601 ] [ 2.55869 -0.0573607 2.7167 ] [ 3.95328 1.36182 4.12861 ] [ 2.72846 2.73806 0.151815 ] [ 4.07331 4.0714 1.3741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.10213e-11 -1.2035e-11 -5.96546e-12 ] [ 1.31419e-10 1.39201e-10 1.41434e-10 ] [ -1.68287e-11 2.6382e-10 2.797e-10 ] [ 1.3034e-10 4.08885e-10 4.02601e-10 ] [ 2.55869e-10 -5.736070000000001e-12 2.7167e-10 ] [ 3.95328e-10 1.36182e-10 4.12861e-10 ] [ 2.72846e-10 2.73806e-10 1.51815e-11 ] [ 4.07331e-10 4.0714e-10 1.3741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.668694500000001 0.29709030000000003 1.4536990000000003 ] [ -1.7402672000000003 -1.0842979000000001 -0.5016886000000002 ] [ 1.6963916000000006 1.0995296000000003 -0.9275560000000003 ] [ -4.096695800000001 -1.4832765000000003 1.3962075000000003 ] [ 3.9092944000000007 1.9494525000000005 -1.7523895000000005 ] [ -2.7475417000000006 0.5468220000000001 -1.8282943000000005 ] [ 0.35156450000000006 -1.1310119000000003 -0.3346196000000001 ] [ -2.0414403000000005 -0.19430810000000007 2.4946415000000006 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.480073239184313e-09 4.759911368480502e-10 2.329082570669166e-09 ] [ -2.788215444756605e-09 -1.737236759675269e-09 -8.037937524641726e-10 ] [ 2.717918983633875e-09 1.761640633511367e-09 -1.486108549926504e-09 ] [ -6.563630287365938e-09 -2.376470950061301e-09 2.236971032715555e-09 ] [ 6.26338014310705e-09 3.123367244592885e-09 -2.807637510566943e-09 ] [ -4.402047112680639e-09 8.761054313571482e-10 -2.929250407535387e-09 ] [ 5.63268427243893e-10 -1.812080838955945e-09 -5.361197043984265e-10 ] [ -3.270747948365951e-09 -3.113158976169355e-10 3.996856321506711e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.394061 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.670753751657067e-18 } }